SCHEMBL3398541

SCHEMBL3398541

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3ccccn3)cnc2F)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.34
ERN1 O75460 1/20 0.32
TNKS O95271 1/20 0.32
CHEK2 O96017 1/20 0.31
WNT3A P56704 4/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GRM5 P41594 1/20 0.30
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL314965 1.00 AXL (0.34) AXLERN1TNKSCHEK2WNT3A
SCHEMBL2413909 0.88 ERN1 (0.34) ERN1KDM4EFLT3SYKAURKB
SCHEMBL2413910 0.88 ERN1 (0.34) ERN1KDM4EFLT3SYKAURKB
SCHEMBL314409 0.86 AXL (0.31) AXL
SCHEMBL314410 0.86 AXL (0.31) AXL
SCHEMBL3400945 0.85 CYP11B2 (0.36)
SCHEMBL316049 0.85 CYP11B2 (0.36)
SCHEMBL2414743 0.84 KMO (0.38) ERN1KDM4E
SCHEMBL2414741 0.84 KMO (0.38) ERN1KDM4E
SCHEMBL316435 0.84 ROCK2 (0.32) GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed